Xiaorui Wang

Publication Activity (10 Years)

Years Active: 2022-2024
Publications (10 Years): 23

Top Topics

Molecular Dynamics Simulations

Top Venues

Journal of chemical information and modeling

Briefings in bioinformatics

Nature computational science

Nature communications

This page only lists publications with an associated author ORCID identifier.

Publications

Xiaorui Wang, Xiaodan Yin, De-Jun Jiang, Huifeng Zhao, Zhenxing Wu, Odin Zhang, Jike Wang, Yuquan Li, Yafeng Deng, Huanxiang Liu, Pei Luo, Yuqiang Han, Ting-Jun Hou, Xiaojun Yao, Chang-Yu Hsieh
Multi-modal deep learning enables efficient and accurate annotation of enzymatic active sites. Nature communications 15 (1) (2024)
Tianyue Wang, Langcheng Wang, Xujun Zhang, Chao Shen, Odin Zhang, Jike Wang, Jialu Wu, Ruofan Jin, Donghao Zhou, Shicheng Chen, Liwei Liu, Xiaorui Wang, Chang-Yu Hsieh, Guangyong Chen, Peichen Pan, Yu Kang, Ting-Jun Hou
Comprehensive assessment of protein loop modeling programs on large-scale datasets: prediction accuracy and efficiency. Briefings in bioinformatics 25 (1) (2024)
Huifeng Zhao, De-Jun Jiang, Chao Shen, Jintu Zhang, Xujun Zhang, Xiaorui Wang, Dou Nie, Ting-Jun Hou, Yu Kang
Comprehensive Evaluation of 10 Docking Programs on a Diverse Set of Protein-Cyclic Peptide Complexes. Journal of chemical information and modeling (2024)
Shukai Gu, Yuwei Yang, Yihao Zhao, Jiayue Qiu, Xiaorui Wang, Henry Hoi Yee Tong, Liwei Liu, Xiaozhe Wan, Huan-Xiang Liu, Ting-Jun Hou, Yu Kang
Evaluation of AlphaFold2 Structures for Hit Identification across Multiple Scenarios. Journal of chemical information and modeling (2024)
Shukai Gu, Yuwei Yang, Yihao Zhao, Jiayue Qiu, Xiaorui Wang, Henry Hoi Yee Tong, Liwei Liu, Xiaozhe Wan, Huan-Xiang Liu, Ting-Jun Hou, Yu Kang
Evaluation of AlphaFold2 Structures for Hit Identification across Multiple Scenarios. Journal of chemical information and modeling 64 (9) (2024)
Huifeng Zhao, De-Jun Jiang, Chao Shen, Jintu Zhang, Xujun Zhang, Xiaorui Wang, Dou Nie, Ting-Jun Hou, Yu Kang
Comprehensive Evaluation of 10 Docking Programs on a Diverse Set of Protein-Cyclic Peptide Complexes. Journal of chemical information and modeling 64 (6) (2024)
Tianyue Wang, Langcheng Wang, Xujun Zhang, Chao Shen, Odin Zhang, Jike Wang, Jialu Wu, Ruofan Jin, Donghao Zhou, Shicheng Chen, Liwei Liu, Xiaorui Wang, Chang-Yu Hsieh, Guangyong Chen, Peichen Pan, Yu Kang, Ting-Jun Hou
Comprehensive assessment of protein loop modeling programs on large-scale datasets: prediction accuracy and efficiency. Briefings in bioinformatics 25 (1) (2024)
Tianyue Wang, Langcheng Wang, Xujun Zhang, Chao Shen, Odin Zhang, Jike Wang, Jialu Wu, Ruofan Jin, Donghao Zhou, Shicheng Chen, Liwei Liu, Xiaorui Wang, Chang-Yu Hsieh, Guangyong Chen, Peichen Pan, Yu Kang, Ting-Jun Hou
Comprehensive assessment of protein loop modeling programs on large-scale datasets: prediction accuracy and efficiency. Briefings in bioinformatics 25 (1) (2024)
Shukai Gu, Yuwei Yang, Yihao Zhao, Jiayue Qiu, Xiaorui Wang, Henry Hoi Yee Tong, Liwei Liu, Xiaozhe Wan, Huan-Xiang Liu, Ting-Jun Hou, Yu Kang
Evaluation of AlphaFold2 Structures for Hit Identification across Multiple Scenarios. Journal of chemical information and modeling 64 (9) (2024)
Huifeng Zhao, De-Jun Jiang, Chao Shen, Jintu Zhang, Xujun Zhang, Xiaorui Wang, Dou Nie, Ting-Jun Hou, Yu Kang
Comprehensive Evaluation of 10 Docking Programs on a Diverse Set of Protein-Cyclic Peptide Complexes. Journal of chemical information and modeling 64 (6) (2024)
Huifeng Zhao, De-Jun Jiang, Chao Shen, Jintu Zhang, Xujun Zhang, Xiaorui Wang, Dou Nie, Ting-Jun Hou, Yu Kang
Comprehensive Evaluation of 10 Docking Programs on a Diverse Set of Protein-Cyclic Peptide Complexes. Journal of chemical information and modeling 64 (6) (2024)
Xiaorui Wang, Xiaodan Yin, De-Jun Jiang, Huifeng Zhao, Zhenxing Wu, Odin Zhang, Jike Wang, Yuquan Li, Yafeng Deng, Huanxiang Liu, Pei Luo, Yuqiang Han, Ting-Jun Hou, Xiaojun Yao, Chang-Yu Hsieh
Multi-modal deep learning enables efficient and accurate annotation of enzymatic active sites. Nature communications 15 (1) (2024)
Yanan Tian, Xiaorui Wang, Xiaojun Yao, Huan-Xiang Liu, Ying Yang
Predicting molecular properties based on the interpretable graph neural network with multistep focus mechanism. Briefings in bioinformatics 24 (1) (2023)
Yanan Tian, Xiaorui Wang, Xiaojun Yao, Huan-Xiang Liu, Ying Yang
Predicting molecular properties based on the interpretable graph neural network with multistep focus mechanism. Briefings in bioinformatics 24 (1) (2023)
Xiao-Dan Yin, Xiaorui Wang, Yuquan Li, Jike Wang, Yuwei Wang, Yafeng Deng, Ting-Jun Hou, Huanxiang Liu, Pei Luo, Xiaojun Yao
CODD-Pred: A Web Server for Efficient Target Identification and Bioactivity Prediction of Small Molecules. Journal of chemical information and modeling (2023)
Jike Wang, Yundian Zeng, Huiyong Sun, Junmei Wang, Xiaorui Wang, Ruofan Jin, Mingyang Wang, Xujun Zhang, Dong-Sheng Cao, Xi Chen, Chang-Yu Hsieh, Ting-Jun Hou
Molecular Generation with Reduced Labeling through Constraint Architecture. Journal of chemical information and modeling (2023)
Odin Zhang, Tianyue Wang, Gaoqi Weng, De-Jun Jiang, Ning Wang, Xiaorui Wang, Huifeng Zhao, Jialu Wu, Ercheng Wang, Guangyong Chen, Yafeng Deng, Peichen Pan, Yu Kang, Chang-Yu Hsieh, Ting-Jun Hou
Learning on topological surface and geometric structure for 3D molecular generation. Nature computational science 3 (10) (2023)
Odin Zhang, Tianyue Wang, Gaoqi Weng, De-Jun Jiang, Ning Wang, Xiaorui Wang, Huifeng Zhao, Jialu Wu, Ercheng Wang, Guangyong Chen, Yafeng Deng, Peichen Pan, Yu Kang, Chang-Yu Hsieh, Ting-Jun Hou
Learning on topological surface and geometric structure for 3D molecular generation. Nature computational science 3 (10) (2023)
De-Jun Jiang, Huifeng Zhao, Hongyan Du, Yafeng Deng, Zhenxing Wu, Jike Wang, Yundian Zeng, Haotian Zhang, Xiaorui Wang, Jian Wu, Chang-Yu Hsieh, Ting-Jun Hou
How Good Are Current Docking Programs at Nucleic Acid-Ligand Docking? A Comprehensive Evaluation. Journal of chemical theory and computation (2023)
Odin Zhang, Tianyue Wang, Gaoqi Weng, De-Jun Jiang, Ning Wang, Xiaorui Wang, Huifeng Zhao, Jialu Wu, Ercheng Wang, Guangyong Chen, Yafeng Deng, Peichen Pan, Yu Kang, Chang-Yu Hsieh, Ting-Jun Hou
Learning on topological surface and geometric structure for 3D molecular generation. Nature computational science 3 (10) (2023)
Yanan Tian, Xiaorui Wang, Xiaojun Yao, Huan-Xiang Liu, Ying Yang
Predicting molecular properties based on the interpretable graph neural network with multistep focus mechanism. Briefings in bioinformatics 24 (1) (2023)
Yanan Tian, Xiaorui Wang, Xiaojun Yao, Huan-Xiang Liu, Ying Yang
Predicting molecular properties based on the interpretable graph neural network with multistep focus mechanism. Briefings in bioinformatics (2022)
Jike Wang, Xiaorui Wang, Huiyong Sun, Mingyang Wang, Yundian Zeng, Dejun Jiang, Zhenxing Wu, Zeyi Liu, Ben Liao, Xiaojun Yao, Chang-Yu Hsieh, Dong-Sheng Cao, Xi Chen, Ting-Jun Hou
ChemistGA: A Chemical Synthesizable Accessible Molecular Generation Algorithm for Real-World Drug Discovery. Journal of medicinal chemistry 65 (18) (2022)